2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol

C5H12N4O — CID 101060487

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol
SMILESOC1NCNC2NNCC12
InChIInChI=1S/C5H12N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h3-10H,1-2H2
InChIKeyUNFJQPJDBQJKEE-UHFFFAOYSA-N
MW144.18 g/mol
LogP-2.49
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol

2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol (PubChem CID 101060487) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol
PubChem CID101060487
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol
SMILESOC1NCNC2NNCC12
InChIInChI=1S/C5H12N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h3-10H,1-2H2
InChIKeyUNFJQPJDBQJKEE-UHFFFAOYSA-N
XLogP-2.49
TPSA68.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-2.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-diazetidin-2-ol
CID 153343203
azetidin-3-ol;hydrobromide
CID 142777193
2,3,3a,4,6,6a-hexahydro-1H-imidazo[4,5-d]imidazol-5-one
CID 15040712
pyrrolidine-2,3,4-triol
CID 73110172
(2S,3R,4S)-pyrrolidine-2,3,4-triol
CID 55299439
7-bromo-4-chloro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 170906088
(3S)-4-bromodiazetidin-3-ol
CID 174114559
5-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[2,3-d]pyrimidine
CID 170905528
4-fluoropyrrolidin-2-ol
CID 89311737
piperidine-2,3,4,5-tetrol;hydrochloride
CID 45263220
(3R,4S,5S,6R)-azepane-2,3,4,5,6-pentol
CID 130762250
(3S,5S)-5-hydroxydiazinane-3-carboxylic acid
CID 11062517

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol (CID 101060487) is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol is OC1NCNC2NNCC12.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol?
The InChIKey is UNFJQPJDBQJKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h3-10H,1-2H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol?
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol has a molecular weight of 144.18 g/mol, XLogP of -2.49, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-d]pyrimidin-4-ol is sourced from PubChem (CID 101060487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).